JVQ
Summary
| Name: | 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one |
| Formula: | C13 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 248.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O3/c1-2-15-7-9-5-11-12(18-8-17-11)6-10(9)14-4-3-13(15)16/h5-6,14H,2-4,7-8H2,1H3 |
| InChIKey | InChI | 1.03 | LCKKANZPYFOBHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1Cc2cc3OCOc3cc2NCCC1=O |
| SMILES | CACTVS | 3.385 | CCN1Cc2cc3OCOc3cc2NCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1Cc2cc3c(cc2NCCC1=O)OCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1Cc2cc3c(cc2NCCC1=O)OCO3 |
